MetaADEDB 2.0 @ LMMD
monotropein
(HPWWQPXTUDMRBI-NJPMDSMTSA-N)
Structure
SMILES
OC[C@H]1O[C@@H](O[C@@H]2OC=C([C@@H]3[C@H]2[C@@](O)(CO)C=C3)C(=O)O)[C@@H]([C@H]([C@@H]1O)O)O
Molecular Formula:
C16H22O11
Molecular Weight:
390.339
Log P:
-3.3467
Hydrogen Bond Acceptor:
11
Hydrogen Bond Donor:
7
TPSA:
186.37
CAS Number(s):
5945-50-6
Synonym(s)
1.
monotropein
External Link(s)
MeSHC507582
PubChem Compound73466
ChEBI6988
KEGGcpd:C09788
ZINC4098344
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Colitis23261679CTD
2Inflammation23261679CTD
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